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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H34O6
Molecular Weight 406.5125
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIGINATIGENIN

SMILES

[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@H]([C@@H](O)C[C@]34O)C5=CC(=O)OC5)[C@@]1(C)CC[C@H](O)C2

InChI

InChIKey=DICIZKAHXOVVHI-BOYBCVSISA-N
InChI=1S/C23H34O6/c1-21-6-5-14(24)8-13(21)3-4-15-16(21)9-18(26)22(2)20(12-7-19(27)29-11-12)17(25)10-23(15,22)28/h7,13-18,20,24-26,28H,3-6,8-11H2,1-2H3/t13-,14+,15-,16+,17+,18-,20+,21+,22-,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H34O6
Molecular Weight 406.5125
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:31:26 GMT 2023
Edited
by admin
on Sat Dec 16 08:31:26 GMT 2023
Record UNII
BL7J6ZZ392
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIGINATIGENIN
MI  
Common Name English
CARD-20(22)-ENOLIDE, 3,12,14,16-TETRAHYDROXY-, (3.BETA.,5.BETA.,12.BETA.,16.BETA.)-
Common Name English
DIGINATIGENIN [MI]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID901024008
Created by admin on Sat Dec 16 08:31:26 GMT 2023 , Edited by admin on Sat Dec 16 08:31:26 GMT 2023
PRIMARY
FDA UNII
BL7J6ZZ392
Created by admin on Sat Dec 16 08:31:26 GMT 2023 , Edited by admin on Sat Dec 16 08:31:26 GMT 2023
PRIMARY
CAS
559-57-9
Created by admin on Sat Dec 16 08:31:26 GMT 2023 , Edited by admin on Sat Dec 16 08:31:26 GMT 2023
PRIMARY
PUBCHEM
15558753
Created by admin on Sat Dec 16 08:31:26 GMT 2023 , Edited by admin on Sat Dec 16 08:31:26 GMT 2023
PRIMARY
MERCK INDEX
m4444
Created by admin on Sat Dec 16 08:31:26 GMT 2023 , Edited by admin on Sat Dec 16 08:31:26 GMT 2023
PRIMARY Merck Index